NELMGW: Difference between revisions

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{{TAGDEF|NELMGW|[integer]|1}}
{{TAGDEF|NELMGW|[integer]|1}}


Description: Controls the number of self-consistent GW steps.
Description: {{TAG|NELMGW}} sets the number of self-consistent GW steps.
Available as of 6.3.0.
Available as of 6.3.0.


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This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] and ignored otherwise.
This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] and ignored otherwise.
For instance  
For instance
  NELMGW = 4 and ALGO = EVGW0
  {{TAG|ALGO}} = EVGW0
performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where G is updated four times.
{{TAG|NELMGW}} = 4
All supported ALGO tags are described [[GW calculations|here]].
performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where <math>G</math> is updated four times.  


=== Related Tags and Sections ===  
Omit {{TAG|NBANDS}} and {{TAG|NELM}} to select the [[GW calculations#GW_in_one_go|single-step GW procedure]].
{{TAG|ALGO}}
 
 
== Related tags and articles==
{{TAG|ALGO}}, [[GW calculations]]


{{sc|NELMGW|Examples|Examples that use this tag}}
{{sc|NELMGW|Examples|Examples that use this tag}}
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[[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:GW]][[Category:VASP6]][[Category:Low-scaling GW and RPA]]
[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]]

Latest revision as of 12:23, 16 October 2024

NELMGW = [integer]
Default: NELMGW = 1 

Description: NELMGW sets the number of self-consistent GW steps. Available as of 6.3.0.


This tag is effective for ALGO=EVGW[0] | QPGW[0] | GW[0][R][K] and ignored otherwise. For instance

ALGO = EVGW0
NELMGW = 4

performs a partially self-consistent GW calculations, where is updated four times.

Omit NBANDS and NELM to select the single-step GW procedure.


Related tags and articles

ALGO, GW calculations

Examples that use this tag